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Compound Detail

CHEMBL4868283

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C[C@@H]1C[C@@H](CCCB(O)O)[C@@H](C(=O)O)N1

Basic Information

ChEMBL ID CHEMBL4868283
Phase Preclinical
Structure Type MOL
InChI Key QYJNNXKXXHBTON-PRJMDXOYSA-N
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

215.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18BNO4
MW 215.06

Activity Summary

EC50 1 meas. best 5.55
IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 8.15 8.15 7.0 1
Arginase-1
CHEMBL1075097
EC50 5.55 5.55 2800.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 31.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34527178 10.1021/acsmedchemlett.1c00195 Arginase-1 2
34527178 10.1021/acsmedchemlett.1c00195 ADMET 1

Data from ChEMBL 36 via Core Engine